SCHEMBL5010704

SCHEMBL5010704

COC(=O)c1cnccc1NC=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.53
ALDH1A1 P00352 4/20 0.53
GLA P06280 2/20 0.53
GAA P10253 2/20 0.53
MAPK8 P45983 1/20 0.47
MAPK9 P45984 1/20 0.47
MAPK10 P53779 1/20 0.47
LMNA P02545 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HSD17B10 Q99714 4/20 0.42
POLB P06746 1/20 0.41
ATM Q13315 1/20 0.41
HTT P42858 2/20 0.41
TGFBR1 P36897 1/20 0.41
KMT2A Q03164 2/20 0.40
CYP46A1 Q9Y6A2 1/20 0.40
KDM4C Q9H3R0 1/20 0.39
HPGD P15428 2/20 0.39
TSHR P16473 1/20 0.39
CASP1 P29466 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14874214 0.83 KDM4E (0.59) KDM4EALDH1A1GLAGAAMAPK8
SCHEMBL5010679 0.81 KDM4C (0.50) KDM4EALDH1A1L3MBTL1KMT2AKDM4C
SCHEMBL21767787 0.80 KDM4E (0.56) KDM4EALDH1A1GLAGAAMAPK8
SCHEMBL14690552 0.79 MAPK8 (0.54) KDM4EALDH1A1GLAGAAMAPK8
Methyl Nicotinate SCHEMBL28249346 0.78 ALDH1A1 (0.64) KDM4EALDH1A1LMNAHSD17B10POLB
SCHEMBL9700938 0.78 KDM4E (0.61) KDM4EALDH1A1GLAGAAMAPK8
SCHEMBL21767777 0.77 KDM4E (0.53) KDM4EALDH1A1GLAGAAMAPK8
SCHEMBL16076619 0.77 KDM4E (0.53) KDM4EALDH1A1GLAGAAMAPK8
SCHEMBL68952 0.77 KDM4E (0.70) KDM4EALDH1A1GLAGAAMAPK8
SCHEMBL29416299 0.77 KDM4E (0.70) KDM4EALDH1A1GLAGAAMAPK8

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7459561-B2 N-substituted carbamoyloxyalkyl-azolium derivatives BASILEA PHARMACEUTICA AG (CH) 2008-12-02 US disclosed
US-7189858-B2 N-phenyl substituted carbamoyloxyalkyl-azolium derivatives BASILEA PHARMACEUTICA AG (CH) 2007-03-13 US disclosed
US-20070027322-A1 N-substituted carbamoyloxyalkyl-azolium derivatives BASILEA PHARMACEUTICA INTERNATIONAL LTD. (CH) 2007-02-01 US disclosed
US-7151182-B2 Intermediates for N-substituted carbamoyloxyalkyl-azolium derivatives BASILEA PHARMACEUTICA AG (CH) 2006-12-19 US disclosed
EP-1280795-B1 N-SUBSTITUTED CARBAMOYLOXYALKYL-AZOLIUM DERIVATIVES BASILEA PHARMACEUTICA AG (CH) 2005-03-23 EP disclosed
US-20050038075-A1 Intermediates for N-substituted carbamoyloxyalkyl-azolium derivatives BASILEA PHARMACEUTICA INTERNATIONAL LTD. (CH) 2005-02-17 US disclosed
US-20050038038-A1 N-phenyl substituted carbamoyloxyalkyl-azolium derivatives BASILEA PHARMACEUTICA INTERNATIONAL LTD. (CH) 2005-02-17 US disclosed
US-6812238-B1 WATER SOLUBLE FUNGICIDES FOR SYSTEMIC MYCOSES; ORAL AND PARENTERAL ADMINISTRATION BASILEA PHARMACEUTICA AG (CH) 2004-11-02 US disclosed
EP-1280795-A2 N-SUBSTITUTED CARBAMOYLOXYALKYL-AZOLIUM DERIVATIVES Basilea Pharmaceutica AG (CH) 2003-02-05 EP disclosed
WO-2001032652-A2 N-SUBSTITUTED CARBAMOYLOXYALKYL-AZOLIUM DERIVATIVES BASILEA PHARMACEUTICA AG (CH) 2001-05-10 WO disclosed
EP-0115469-B1 PYRAZOLO(3,4-D)PYRIDIN-3-ONES CONDENSED WITH A HETEROCYCLE CIBA-GEIGY AG (CH) 1987-05-20 EP disclosed
EP-0115469-A1 Pyrazolo(3,4-d)pyridin-3-ones condensed with a heterocycle CIBA-GEIGY AG (CH) 1984-08-08 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070027322-A1 N-substituted carbamoyloxyalkyl-azolium derivatives ERG28, CYP51A1, NAALAD2 KDM4E 291/4885ALDH1A1 3413/4885GLA 1095/4885
US-20050038038-A1 N-phenyl substituted carbamoyloxyalkyl-azolium derivatives ERG28, CYP51A1, NAALAD2 KDM4E 232/4885ALDH1A1 3267/4885GLA 1408/4885
US-20050038075-A1 Intermediates for N-substituted carbamoyloxyalkyl-azolium derivatives ERG28, CYP51A1, CPS1 KDM4E 975/4885ALDH1A1 2674/4885GLA 1302/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.